K906-2005 Screening compound: ethyl 1-{3-[(3-acetylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

K906-2005 Screening compound: ethyl 1-{3-[(3-acetylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
K906-2005 Screening compound: ethyl 1-{3-[(3-acetylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2005
ethyl 1-{3-[(3-acetylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K906-2005

Molecular Formula

C29H26N2O4 (C29 H26 N2 O4)

Compound Name

ethyl 1-{3-[(3-acetylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-{3-[(3-acetylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c(cc1-c2ccccc2)c(C)n1-c1cccc(C(Nc2cc(C(C)=O)ccc2)=O)c1)=O

InChI

InChI=1S/C29H26N2O4/c1-4-35-29(34)26-18-27(21-10-6-5-7-11-21)31(19(26)2)25-15-9-13-23(17-25)28(33)30-24-14-8-12-22(16-24)20(3)32/h5-18H,4H2,1-3H3,(H,30,33)

InChI Key

YENOFMGLMYURMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.829

Distribution Coefficient, logD

5.827

Water Solubility, LogSw

-5.53

Polar Surface Area

59.333

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

K906-2005 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K906-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2005?
Check Price and Availability of K906-2005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2005
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K906-2005 available by request